! wb97x-d3
! def2-TZVPP
! def2/J RIJCOSX GRIDX6 NOFINALGRIDX
! grid4 nofinalgrid
! scfconv7
! smallprint printgap noloewdin
! NOSOSCF
%MaxCore 8000
%output
       print[P_BondOrder_M] 1
       print[P_Mayer] 1
       print[P_basis] 2
end
%pal
    nprocs 8
end
%cpcm
    smd    true
    smdsolvent "WATER"
end
*xyz 0 1
Cl   1.1580023464  -0.2881190058  -2.4211024334
Cl   5.7620133972  -0.4379222957   0.2486625032
O   -0.9384029459  -0.5561570533  -0.3625611843
O   -0.6693232062   0.4271987789   1.6423772955
N   -1.9286922582   2.0736017827  -0.3273186266
N   -2.5422302007   2.6759340074   0.6961433841
N   -4.0433113341   1.9840545293  -0.8224885443
C   -0.2205451858   0.4292400505   0.3129315238
C   -1.5414837262  -1.4281797965   0.5878503339
C   -1.7274041163  -0.5067217868   1.7804242000
C   -2.8235607864  -1.9937743591   0.0179142254
C   -0.5176575466   1.7975191789  -0.3218522851
C    1.2822503071   0.1714609416   0.2775277809
C   -3.5588892745  -2.8879886568   1.0093981753
C    1.9681399335  -0.1363124049  -0.8974159466
C    2.0368397408   0.2875584236   1.4411861475
C   -4.8570948864  -3.4287230008   0.4305303899
C    3.3414679235  -0.3283986384  -0.9147806941
C    3.4089080032   0.1015633388   1.4525384298
C   -2.8359713371   1.6551626441  -1.2113942135
C    4.0504963956  -0.2064388004   0.2668151737
C   -3.8006294909   2.6007771823   0.3504123897
H   -0.8484847406  -2.2417829948   0.8393024501
H   -2.6985971529   0.0022604482   1.7540730880
H   -1.6290960001  -1.0170285809   2.7381137650
H   -2.5956496436  -2.5660220417  -0.8853999793
H   -3.4741715035  -1.1669189151  -0.2852384996
H   -0.1547145332   1.8377028629  -1.3468948446
H   -0.0096181767   2.5823260307   0.2353127771
H   -3.7801858990  -2.3308689895   1.9246494538
H   -2.9123774183  -3.7186326522   1.3057052416
H    1.5472792345   0.5307969362   2.3725760643
H   -5.3727033616  -4.0740145312   1.1422662389
H   -5.5390416050  -2.6181376045   0.1670829456
H   -4.6763068241  -4.0130193389  -0.4735498842
H    3.8462554944  -0.5674352872  -1.8402897894
H    3.9622119875   0.1994838388   2.3757406471
H   -2.5765076474   1.1432276753  -2.1239832119
H   -4.5808902858   3.0165521482   0.9682948473
*